3-hydroxy-3,7,11,15-tetramethylhexadecanal

C20H40O2 — CID 87376628

IUPAC3-hydroxy-3,7,11,15-tetramethylhexadecanal
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)CC=O
InChIInChI=1S/C20H40O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,22)15-16-21/h16-19,22H,6-15H2,1-5H3
InChIKeyABNBFORXNUIRGS-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.77
Rot. Bonds14

About 3-hydroxy-3,7,11,15-tetramethylhexadecanal

3-hydroxy-3,7,11,15-tetramethylhexadecanal (PubChem CID 87376628) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 3-hydroxy-3,7,11,15-tetramethylhexadecanal.

Molecular Properties

Compound Name3-hydroxy-3,7,11,15-tetramethylhexadecanal
PubChem CID87376628
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name3-hydroxy-3,7,11,15-tetramethylhexadecanal
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(O)CC=O
InChIInChI=1S/C20H40O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,22)15-16-21/h16-19,22H,6-15H2,1-5H3
InChIKeyABNBFORXNUIRGS-UHFFFAOYSA-N
XLogP5.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 7888
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5-Hydroxy-4-tetradecylicosan-3-one
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(r)-7-Hydroxy-3,7-dimethyl-octanal
CID 1550260
3-Hydroxy-2-octyl-dodecanal
CID 11186057
12-Hydroxy-12-methyltridecanal
CID 14116364
(5R,7R,12R,13R)-13-formyl-12,14-dihydroxy-3,5,7-trimethyltetradecanoate
CID 72200700
(Hydroxymethyl)nonanal
CID 129726378
10,14-Dimethylhexadecan-14-ol-2-one
CID 129837298
3-Hydroxy-2-pentylnonanal
CID 10036753

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3,7,11,15-tetramethylhexadecanal?
The IUPAC name of 3-hydroxy-3,7,11,15-tetramethylhexadecanal (CID 87376628) is 3-hydroxy-3,7,11,15-tetramethylhexadecanal.
What is the SMILES notation for 3-hydroxy-3,7,11,15-tetramethylhexadecanal?
The canonical SMILES for 3-hydroxy-3,7,11,15-tetramethylhexadecanal is CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CC=O.
What is the InChIKey of 3-hydroxy-3,7,11,15-tetramethylhexadecanal?
The InChIKey is ABNBFORXNUIRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,22)15-16-21/h16-19,22H,6-15H2,1-5H3.
What are the key properties of 3-hydroxy-3,7,11,15-tetramethylhexadecanal?
3-hydroxy-3,7,11,15-tetramethylhexadecanal has a molecular weight of 312.54 g/mol, XLogP of 5.77, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3,7,11,15-tetramethylhexadecanal is sourced from PubChem (CID 87376628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).